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NCID-ZINC01691063

 MMsINC code: MMs02323215
Type: Neutral
Formula: C9H20ClO3P
SMILES:   ClCP(OCCCC)(OCCCC)=O
InChI:   InChI=1/C9H20ClO3P/c1-3-5-7-12-14(11,9-10)13-8-6-4-2/h3-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.8045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.683 g/mol  logS: -2.17056  SlogP: 2.939  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0768205  Sterimol/B1: 2.47575  Sterimol/B2: 3.80458  Sterimol/B3: 4.06043
  Sterimol/B4: 8.10732  Sterimol/L: 13.8251 
 
 Surface and Volume Properties
  Accessible surface: 508.246  Positive charged surface: 339.803  Negative charged surface: 168.443  Volume: 235.625
  Hydrophobic surface: 357.53  Hydrophilic surface: 150.716
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.